4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one
TL;DR: 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one (CAS 518995-93-2) is a chemical compound with molecular formula C24H20N4O4 and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-(C-methyl-N-phenylcarbonimidoyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one, 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-N-phenylethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one, (4E)-4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one, (4Z)-4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one, (E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(1-(phenylimino)ethyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C24H20N4O4 |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 4.8901 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.14847 |
| Heavy Atoms | 32 |
| Complexity | 1335.7721 |
Chemical Identifiers
| CAS Number | 518995-93-2 |
|---|---|
| SMILES | CC(=NC1=CC=CC=C1)C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC |
Product Overview
4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one (CAS 518995-93-2), with molecular formula C24H20N4O4 and molecular weight 428.15 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-(C-methyl-N-phenylcarbonimidoyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one
Property Insights of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one
The XLogP value of 4.8901 indicates that 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one. Following Lipinski's Rule of Five, 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one?
The CAS number of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one is 518995-93-2.
What is the molecular formula of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one?
The molecular formula of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one is C24H20N4O4.
What is the molecular weight of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one?
The molecular weight of 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one is 428.15 g/mol.
Where can I buy 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one?
You can request a quote for 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-anilinoethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.